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5-Isopropyl-1-methyl-3-phenyl-2-thioxo-4-imidazolidinone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Isopropyl-1-methyl-3-phenyl-2-thioxo-4-imidazolidinone
SpectraBase Compound ID DHynjiIBCWu
InChI InChI=1S/C13H16N2OS/c1-9(2)11-12(16)15(13(17)14(11)3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKey QRVXVGVYJRYVMY-UHFFFAOYSA-N
Mol Weight 248.34 g/mol
Molecular Formula C13H16N2OS
Exact Mass 248.098334 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AMGM0Tc1iCB
Name 5-Isopropyl-1-methyl-3-phenyl-2-thioxo-4-imidazolidinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.098334316 u
Formula C13H16N2OS
InChI InChI=1S/C13H16N2OS/c1-9(2)11-12(16)15(13(17)14(11)3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
InChIKey QRVXVGVYJRYVMY-UHFFFAOYSA-N
Molecular Weight 248.344 g/mol
SMILES C1(N(C(C(N1C)C(C)C)=O)C=1C=CC=CC1)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938066